Related papers: Evaluating the electron density model by applying …
We introduce a new approach for estimating the invariant density of a multidimensional diffusion when dealing with high-frequency observations blurred by independent noises. We consider the intermediate regime, where observations occur at…
We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which enables an accurate expansion of the all-electron density in…
We consider the problem of elastic diffraction tomography, which consists in reconstructing elastic properties (i.e. mass density and elastic Lam\'e parameters) of a weakly scattering medium from full-field data of scattered waves outside…
Fourier transform methods are used to analyze functions and data sets to provide frequencies, amplitudes, and phases of underlying oscillatory components. Fast Fourier transform (FFT) methods offer speed advantages over evaluation of…
A method is presented for the determination of complex-valued compression and shear elastic moduli of polymers for ultrasound applications. The resulting values, which are scarcely reported in the literature, are found with uncertainties…
The evolution of the electron density during electron cloud formation can be reproduced using a bunch-to-bunch iterative map formalism. The reliability of this formalism has been proved for RHIC [1] and LHC [2]. The linear coefficient has a…
We apply a new method "force enhanced atomic refinement" (FEAR) to create a computer model of amorphous silicon (a-Si), based upon the highly precise X-ray diffraction experiments of Laaziri et al. The logic underlying our calculation is to…
In this paper, we study the problem of adaptive estimation of the spectral density of a stationary Gaussian process. For this purpose, we consider a wavelet-based method which combines the ideas of wavelet approximation and estimation by…
Advantages of introducing the electron structure function in electron induced processes are demonstrated. At present energies the same experiment gives more precise description of the electron than photon structure. The momentum scales…
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the…
Time-resolved electronic spectra can be obtained as the Fourier transform of a special type of time correlation function known as fidelity amplitude, which, in turn, can be evaluated approximately and efficiently with the dephasing…
Amplitude analysis is a powerful technique to study hadron decays. A significant complication in these analyses is the treatment of instrumental effects, such as background and selection efficiency variations, in the multidimensional…
Refraction of an optical probe beam by a plasma can be measured with angular filter refractometry (AFR), which produces an image containing intensity contours that correspond to curves of constant refraction angle. Further analysis is…
Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of non-interacting fermions in 1d, mean absolute errors below 1 kcal/mol on test densities similar to the training set are reached with…
A variational Bayesian inference for measured wave intensity, such as X-ray intensity, is proposed in this paper. The data is popular to obtain information about unobservable features of an object, such as a material sample and the…
Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…
The electron and photon transport processes in spectroscopy techniques described by the invariant embedding theory is here revisited. We report a convergence method to obtain closed analytical solutions to the 3D integro-differential…
A model recently proposed for the calculation of air-fluorescence yield excited by electrons is revisited. Improved energy distributions of secondary electrons and a more realistic Monte Carlo simulation including some additional processes…
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…
Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…